N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine

C72H47FN2O — CID 118148993

IUPACN-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
SMILESFc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2c(c1)Oc1cccc3c1c-2cc1c2ccccc2c(-c2ccc(N(c4ccccc4)c4ccccc4-c4ccccc4)cc2)cc31
InChIInChI=1S/C72H47FN2O/c73-67-44-52(48-21-6-1-7-22-48)43-63(50-25-10-3-11-26-50)72(67)75(54-29-14-5-15-30-54)56-41-42-60-66-47-64-59-33-17-16-32-58(59)62(46-65(64)61-34-20-36-69(71(61)66)76-70(60)45-56)51-37-39-55(40-38-51)74(53-27-12-4-13-28-53)68-35-19-18-31-57(68)49-23-8-2-9-24-49/h1-47H
InChIKeyLIZSONVSXCAWRO-UHFFFAOYSA-N
MW975.18 g/mol
LogP20.67
Rot. Bonds10

About N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine

N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine (PubChem CID 118148993) has the molecular formula C72H47FN2O and a molecular weight of 975.18 g/mol. Its IUPAC name is N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine.

Molecular Properties

Compound NameN-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
PubChem CID118148993
Molecular FormulaC72H47FN2O
Molecular Weight975.18 g/mol
Exact Mass974.37
IUPAC NameN-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
SMILESFc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2c(c1)Oc1cccc3c1c-2cc1c2ccccc2c(-c2ccc(N(c4ccccc4)c4ccccc4-c4ccccc4)cc2)cc31
InChIInChI=1S/C72H47FN2O/c73-67-44-52(48-21-6-1-7-22-48)43-63(50-25-10-3-11-26-50)72(67)75(54-29-14-5-15-30-54)56-41-42-60-66-47-64-59-33-17-16-32-58(59)62(46-65(64)61-34-20-36-69(71(61)66)76-70(60)45-56)51-37-39-55(40-38-51)74(53-27-12-4-13-28-53)68-35-19-18-31-57(68)49-23-8-2-9-24-49/h1-47H
InChIKeyLIZSONVSXCAWRO-UHFFFAOYSA-N
XLogP20.67
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.18
LogP ≤ 520.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine?
The IUPAC name of N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine (CID 118148993) is N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine.
What is the SMILES notation for N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine?
The canonical SMILES for N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine is Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2c(c1)Oc1cccc3c1c-2cc1c2ccccc2c(-c2ccc(N(c4ccccc4)c4ccccc4-c4ccccc4)cc2)cc31.
What is the InChIKey of N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine?
The InChIKey is LIZSONVSXCAWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H47FN2O/c73-67-44-52(48-21-6-1-7-22-48)43-63(50-25-10-3-11-26-50)72(67)75(54-29-14-5-15-30-54)56-41-42-60-66-47-64-59-33-17-16-32-58(59)62(46-65(64)61-34-20-36-69(71(61)66)76-70(60)45-56)51-37-39-55(40-38-51)74(53-27-12-4-13-28-53)68-35-19-18-31-57(68)49-23-8-2-9-24-49/h1-47H.
What are the key properties of N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine?
N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine has a molecular weight of 975.18 g/mol, XLogP of 20.67, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine is sourced from PubChem (CID 118148993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).